4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide

C14H20N4O — CID 115155498

IUPAC4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide
SMILESCN(CCc1ccc2nc[nH]c2c1)C(=O)CCCN
InChIInChI=1S/C14H20N4O/c1-18(14(19)3-2-7-15)8-6-11-4-5-12-13(9-11)17-10-16-12/h4-5,9-10H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyDUVPTTYQDAUPSZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.30
Rot. Bonds6

About 4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide

4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide (PubChem CID 115155498) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide
PubChem CID115155498
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide
SMILESCN(CCc1ccc2nc[nH]c2c1)C(=O)CCCN
InChIInChI=1S/C14H20N4O/c1-18(14(19)3-2-7-15)8-6-11-4-5-12-13(9-11)17-10-16-12/h4-5,9-10H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyDUVPTTYQDAUPSZ-UHFFFAOYSA-N
XLogP1.30
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide
CID 115192241
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-cyano-N-methylacetamide
CID 115173373
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
N'-(3H-benzimidazol-5-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201335
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 115153098
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide
CID 116847733
3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoic acid
CID 115218303
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
CID 119771019
2-[2-(3H-benzimidazol-5-yl)ethyl-methylamino]ethanethiol
CID 115224401

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide (CID 115155498) is 4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide is CN(CCc1ccc2nc[nH]c2c1)C(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide?
The InChIKey is DUVPTTYQDAUPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18(14(19)3-2-7-15)8-6-11-4-5-12-13(9-11)17-10-16-12/h4-5,9-10H,2-3,6-8,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide?
4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3H-benzimidazol-5-yl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115155498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).