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

C23H25Br3N10O2 — CID 163190550

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

N-[[(5R,6S,7S)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide (PubChem CID 163190550) has the molecular formula C23H25Br3N10O2 and a molecular weight of 713.23 g/mol. Its IUPAC name is N-[[(5R,6S,7S)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(5R,6S,7S)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide
• PubChem CID: 163190550
• Molecular Formula: C23H25Br3N10O2
• Molecular Weight: 713.23 g/mol
• Exact Mass: 709.97
• IUPAC Name: N-[[(5R,6S,7S)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide
• SMILES: Cn1c(C(=O)NCC2Cc3[nH]c(N)nc3[C@H](c3cnc(N)[nH]3)[C@H]2CNC(=O)c2cc(Br)c[nH]2)cc(Br)c1Br
• InChI: InChI=1S/C23H25Br3N10O2/c1-36-16(4-12(25)19(36)26)21(38)30-5-9-2-13-18(35-23(28)33-13)17(15-8-32-22(27)34-15)11(9)7-31-20(37)14-3-10(24)6-29-14/h3-4,6,8-9,11,17,29H,2,5,7H2,1H3,(H,30,38)(H,31,37)(H3,27,32,34)(H3,28,33,35)/t9?,11-,17-/m0/s1
• InChIKey: OSLSKCFZSRZFSN-KADBBIKFSA-N
• XLogP: 3.03
• TPSA: 188.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.23
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[(5R,6S,7S)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide (CID 163190550) is N-[[(5R,6S,7S)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide.

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

The canonical SMILES for N-[[(5R,6S,7S)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)NCC2Cc3[nH]c(N)nc3[C@H](c3cnc(N)[nH]3)[C@H]2CNC(=O)c2cc(Br)c[nH]2)cc(Br)c1Br.

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

The InChIKey is OSLSKCFZSRZFSN-KADBBIKFSA-N. The full InChI is InChI=1S/C23H25Br3N10O2/c1-36-16(4-12(25)19(36)26)21(38)30-5-9-2-13-18(35-23(28)33-13)17(15-8-32-22(27)34-15)11(9)7-31-20(37)14-3-10(24)6-29-14/h3-4,6,8-9,11,17,29H,2,5,7H2,1H3,(H,30,38)(H,31,37)(H3,27,32,34)(H3,28,33,35)/t9?,11-,17-/m0/s1.

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

N-[[(5R,6S,7S)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide has a molecular weight of 713.23 g/mol, XLogP of 3.03, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5R,6S,7S)-2-amino-7-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methyl]-4,5-dibromo-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 163190550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).