4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide

C13H18N4O — CID 115156392

IUPAC4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-9(6-14)4-13(18)15-7-10-2-3-11-12(5-10)17-8-16-11/h2-3,5,8-9H,4,6-7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyIVGFAMODMHBZLC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.16
Rot. Bonds5

About 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide

4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide (PubChem CID 115156392) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
PubChem CID115156392
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-9(6-14)4-13(18)15-7-10-2-3-11-12(5-10)17-8-16-11/h2-3,5,8-9H,4,6-7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyIVGFAMODMHBZLC-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3,3-dimethylbutanamide
CID 115157341
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
CID 126453026
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
CID 115142411
1-(3H-benzimidazol-5-ylmethyl)-3-tert-butylurea
CID 110775445
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide (CID 115156392) is 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide is CC(CN)CC(=O)NCc1ccc2nc[nH]c2c1.
What is the InChIKey of 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide?
The InChIKey is IVGFAMODMHBZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(6-14)4-13(18)15-7-10-2-3-11-12(5-10)17-8-16-11/h2-3,5,8-9H,4,6-7,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide?
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 115156392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).