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

C14H20N4O — CID 61276149

IUPAC3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CC(C)N
InChIInChI=1S/C14H20N4O/c1-10(15)9-14(19)16-7-8-18-11(2)17-12-5-3-4-6-13(12)18/h3-6,10H,7-9,15H2,1-2H3,(H,16,19)
InChIKeyBVCFQDWYLMVAOO-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.20
Rot. Bonds5

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

3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide (PubChem CID 61276149) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
PubChem CID61276149
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CC(C)N
InChIInChI=1S/C14H20N4O/c1-10(15)9-14(19)16-7-8-18-11(2)17-12-5-3-4-6-13(12)18/h3-6,10H,7-9,15H2,1-2H3,(H,16,19)
InChIKeyBVCFQDWYLMVAOO-UHFFFAOYSA-N
XLogP1.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.20
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
3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 62839430
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51221826
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
(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-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide (CID 61276149) is 3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide is Cc1nc2ccccc2n1CCNC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The InChIKey is BVCFQDWYLMVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(15)9-14(19)16-7-8-18-11(2)17-12-5-3-4-6-13(12)18/h3-6,10H,7-9,15H2,1-2H3,(H,16,19).
What are the key properties of 3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide has a molecular weight of 260.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 61276149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).