2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide

C12H16N4O — CID 115186850

IUPAC2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H16N4O/c1-2-8(6-13)12(17)16-9-3-4-10-11(5-9)15-7-14-10/h3-5,7-8H,2,6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyYPJGMUVDFLQTBX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.49
Rot. Bonds4

About 2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide

2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide (PubChem CID 115186850) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide
PubChem CID115186850
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H16N4O/c1-2-8(6-13)12(17)16-9-3-4-10-11(5-9)15-7-14-10/h3-5,7-8H,2,6,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyYPJGMUVDFLQTBX-UHFFFAOYSA-N
XLogP1.49
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide
CID 23383026
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
CID 65224950
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
methyl 2-(3H-benzimidazol-5-ylmethyl)butanoate
CID 116931331
(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 110205851
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
1-(3H-benzimidazol-5-yl)-3-dodecylurea
CID 58973015
N-(3H-benzimidazol-5-yl)-3-chloropropanamide
CID 110460990

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide (CID 115186850) is 2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide is CCC(CN)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide?
The InChIKey is YPJGMUVDFLQTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-8(6-13)12(17)16-9-3-4-10-11(5-9)15-7-14-10/h3-5,7-8H,2,6,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide?
2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide has a molecular weight of 232.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3H-benzimidazol-5-yl)butanamide is sourced from PubChem (CID 115186850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).