N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide

C14H18N4O — CID 115271345

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide
SMILESNCC1(CNC(=O)Cc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C14H18N4O/c15-7-14(3-4-14)8-16-13(19)6-10-1-2-11-12(5-10)18-9-17-11/h1-2,5,9H,3-4,6-8,15H2,(H,16,19)(H,17,18)
InChIKeyHCWYVUTYHGUQSI-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.96
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide (PubChem CID 115271345) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide
PubChem CID115271345
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide
SMILESNCC1(CNC(=O)Cc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C14H18N4O/c15-7-14(3-4-14)8-16-13(19)6-10-1-2-11-12(5-10)18-9-17-11/h1-2,5,9H,3-4,6-8,15H2,(H,16,19)(H,17,18)
InChIKeyHCWYVUTYHGUQSI-UHFFFAOYSA-N
XLogP0.96
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 115271331
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110772427
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
CID 115365544
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3H-benzimidazole-5-carboxamide
CID 115701405
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide (CID 115271345) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide is NCC1(CNC(=O)Cc2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide?
The InChIKey is HCWYVUTYHGUQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-7-14(3-4-14)8-16-13(19)6-10-1-2-11-12(5-10)18-9-17-11/h1-2,5,9H,3-4,6-8,15H2,(H,16,19)(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 115271345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).