N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine

C52H71Br5N24O4 — CID 159162726

About N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine

N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine (PubChem CID 159162726) has the molecular formula C52H71Br5N24O4 and a molecular weight of 1495.82 g/mol. Its IUPAC name is N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine
• PubChem CID: 159162726
• Molecular Formula: C52H71Br5N24O4
• Molecular Weight: 1495.82 g/mol
• Exact Mass: 1490.20
• IUPAC Name: N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine
• SMILES: CCNC(=O)CCCc1cnc(N)[nH]1.Cn1c(C(=O)NCCCc2cnc(N)[nH]2)cc(Br)c1Br.NCC1Cc2nc(N)[nH]c2C[C@@H]1CN.Nc1ncc([C@@H]2c3nc(N)[nH]c3C[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1
• InChI: InChI=1S/C22H23Br3N10O2.C12H15Br2N5O.C9H17N5.C9H16N4O/c23-9-2-13(28-5-9)19(36)29-4-8-1-12-17(35-22(27)33-12)16(15-7-31-21(26)34-15)10(8)6-30-20(37)14-3-11(24)18(25)32-14;1-19-9(5-8(13)10(19)14)11(20)16-4-2-3-7-6-17-12(15)18-7;10-3-5-1-7-8(2-6(5)4-11)14-9(12)13-7;1-2-11-8(14)5-3-4-7-6-12-9(10)13-7/h2-3,5,7-8,10,16,28,32H,1,4,6H2,(H,29,36)(H,30,37)(H3,26,31,34)(H3,27,33,35);5-6H,2-4H2,1H3,(H,16,20)(H3,15,17,18);5-6H,1-4,10-11H2,(H3,12,13,14);6H,2-5H2,1H3,(H,11,14)(H3,10,12,13)/t8-,10-,16-;;5-,6?;/m1.1./s1
• InChIKey: KKRVFYXCVBKEIZ-VTXXPGHKSA-N
• XLogP: 4.93
• TPSA: 478.45 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1495.82
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine?

The IUPAC name of N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine (CID 159162726) is N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine.

What is the SMILES notation for N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine?

The canonical SMILES for N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine is CCNC(=O)CCCc1cnc(N)[nH]1.Cn1c(C(=O)NCCCc2cnc(N)[nH]2)cc(Br)c1Br.NCC1Cc2nc(N)[nH]c2C[C@@H]1CN.Nc1ncc([C@@H]2c3nc(N)[nH]c3C[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@H]2CNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1.

What is the InChIKey of N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine?

The InChIKey is KKRVFYXCVBKEIZ-VTXXPGHKSA-N. The full InChI is InChI=1S/C22H23Br3N10O2.C12H15Br2N5O.C9H17N5.C9H16N4O/c23-9-2-13(28-5-9)19(36)29-4-8-1-12-17(35-22(27)33-12)16(15-7-31-21(26)34-15)10(8)6-30-20(37)14-3-11(24)18(25)32-14;1-19-9(5-8(13)10(19)14)11(20)16-4-2-3-7-6-17-12(15)18-7;10-3-5-1-7-8(2-6(5)4-11)14-9(12)13-7;1-2-11-8(14)5-3-4-7-6-12-9(10)13-7/h2-3,5,7-8,10,16,28,32H,1,4,6H2,(H,29,36)(H,30,37)(H3,26,31,34)(H3,27,33,35);5-6H,2-4H2,1H3,(H,16,20)(H3,15,17,18);5-6H,1-4,10-11H2,(H3,12,13,14);6H,2-5H2,1H3,(H,11,14)(H3,10,12,13)/t8-,10-,16-;;5-,6?;/m1.1./s1.

What are the key properties of N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine?

N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine has a molecular weight of 1495.82 g/mol, XLogP of 4.93, 19 rotatable bonds, 18 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide;4-(2-amino-1H-imidazol-5-yl)-N-ethylbutanamide;N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide;(5S,6S)-5,6-bis(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-amine is sourced from PubChem (CID 159162726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).