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

C16H24N4O — CID 62839430

IUPAC3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
SMILESCCNC(C)CC(=O)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-4-17-12(2)11-16(21)18-9-10-20-13(3)19-14-7-5-6-8-15(14)20/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyJIZKLMUKNFSJEE-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.85
Rot. Bonds7

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

3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide (PubChem CID 62839430) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
PubChem CID62839430
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
SMILESCCNC(C)CC(=O)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C16H24N4O/c1-4-17-12(2)11-16(21)18-9-10-20-13(3)19-14-7-5-6-8-15(14)20/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyJIZKLMUKNFSJEE-UHFFFAOYSA-N
XLogP1.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51221826
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
(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-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
2-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide (CID 62839430) is 3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide is CCNC(C)CC(=O)NCCn1c(C)nc2ccccc21.
What is the InChIKey of 3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
The InChIKey is JIZKLMUKNFSJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-17-12(2)11-16(21)18-9-10-20-13(3)19-14-7-5-6-8-15(14)20/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of 3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide?
3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 62839430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).