2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide

C16H24N4O — CID 65229175

IUPAC2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(CN)C(C)C
InChIInChI=1S/C16H24N4O/c1-11(2)13(10-17)16(21)18-8-9-20-12(3)19-14-6-4-5-7-15(14)20/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,21)
InChIKeyBGWXAQVCDNTGKM-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.69
Rot. Bonds6

About 2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide

2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide (PubChem CID 65229175) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
PubChem CID65229175
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
SMILESCc1nc2ccccc2n1CCNC(=O)C(CN)C(C)C
InChIInChI=1S/C16H24N4O/c1-11(2)13(10-17)16(21)18-8-9-20-12(3)19-14-6-4-5-7-15(14)20/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,21)
InChIKeyBGWXAQVCDNTGKM-UHFFFAOYSA-N
XLogP1.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111454104
(3S)-3-[[(2S)-4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxo-2-propan-2-ylbutanoyl]amino]-4-oxo-4-sulfanylbutanoic acid
CID 53313340
2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 55775708
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575678
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
N-[1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51302369

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide (CID 65229175) is 2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide is Cc1nc2ccccc2n1CCNC(=O)C(CN)C(C)C.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The InChIKey is BGWXAQVCDNTGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)13(10-17)16(21)18-8-9-20-12(3)19-14-6-4-5-7-15(14)20/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,21).
What are the key properties of 2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 65229175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).