3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride

C15H24Cl2N4O — CID 120502679

IUPAC3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCCc1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C15H22N4O.2ClH/c1-10(11(2)16)15(20)17-9-5-8-14-18-12-6-3-4-7-13(12)19-14;;/h3-4,6-7,10-11H,5,8-9,16H2,1-2H3,(H,17,20)(H,18,19);2*1H
InChIKeyFFNIKUSGKGRXFH-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.44
Rot. Bonds6

About 3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120502679) has the molecular formula C15H24Cl2N4O and a molecular weight of 347.29 g/mol. Its IUPAC name is 3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
PubChem CID120502679
Molecular FormulaC15H24Cl2N4O
Molecular Weight347.29 g/mol
Exact Mass346.13
IUPAC Name3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCCc1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C15H22N4O.2ClH/c1-10(11(2)16)15(20)17-9-5-8-14-18-12-6-3-4-7-13(12)19-14;;/h3-4,6-7,10-11H,5,8-9,16H2,1-2H3,(H,17,20)(H,18,19);2*1H
InChIKeyFFNIKUSGKGRXFH-UHFFFAOYSA-N
XLogP2.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
2-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669473
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[(2S)-1-[3-(1H-benzimidazol-2-yl)propylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 30360173
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
CID 83961835
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 34708595

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride (CID 120502679) is 3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride is CC(N)C(C)C(=O)NCCCc1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is FFNIKUSGKGRXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.2ClH/c1-10(11(2)16)15(20)17-9-5-8-14-18-12-6-3-4-7-13(12)19-14;;/h3-4,6-7,10-11H,5,8-9,16H2,1-2H3,(H,17,20)(H,18,19);2*1H.
What are the key properties of 3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120502679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).