3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

C16H22N4O — CID 61276333

IUPAC3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCNC1CC1
InChIInChI=1S/C16H22N4O/c1-12-19-14-4-2-3-5-15(14)20(12)11-10-18-16(21)8-9-17-13-6-7-13/h2-5,13,17H,6-11H2,1H3,(H,18,21)
InChIKeyJUCYEKWLDFCMFP-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.60
Rot. Bonds7

About 3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide

3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (PubChem CID 61276333) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
PubChem CID61276333
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
SMILESCc1nc2ccccc2n1CCNC(=O)CCNC1CC1
InChIInChI=1S/C16H22N4O/c1-12-19-14-4-2-3-5-15(14)20(12)11-10-18-16(21)8-9-17-13-6-7-13/h2-5,13,17H,6-11H2,1H3,(H,18,21)
InChIKeyJUCYEKWLDFCMFP-UHFFFAOYSA-N
XLogP1.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18120811
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716683
tert-butyl N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]carbamate
CID 40716757
2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 51080822
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide (CID 61276333) is 3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is Cc1nc2ccccc2n1CCNC(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
The InChIKey is JUCYEKWLDFCMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-19-14-4-2-3-5-15(14)20(12)11-10-18-16(21)8-9-17-13-6-7-13/h2-5,13,17H,6-11H2,1H3,(H,18,21).
What are the key properties of 3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide?
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 61276333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).