2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide

C16H22N4O — CID 61273474

IUPAC2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)CNCC1CC1
InChIInChI=1S/C16H22N4O/c1-12-19-14-4-2-3-5-15(14)20(12)9-8-18-16(21)11-17-10-13-6-7-13/h2-5,13,17H,6-11H2,1H3,(H,18,21)
InChIKeyCRSMXIAKZFCEKX-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.46
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide

2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (PubChem CID 61273474) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
PubChem CID61273474
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)CNCC1CC1
InChIInChI=1S/C16H22N4O/c1-12-19-14-4-2-3-5-15(14)20(12)9-8-18-16(21)11-17-10-13-6-7-13/h2-5,13,17H,6-11H2,1H3,(H,18,21)
InChIKeyCRSMXIAKZFCEKX-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 51080822
N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 24554300
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716683
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 18120767
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
2-[formyl(methyl)amino]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 142104705
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (CID 61273474) is 2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is Cc1nc2ccccc2n1CCNC(=O)CNCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is CRSMXIAKZFCEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-19-14-4-2-3-5-15(14)20(12)9-8-18-16(21)11-17-10-13-6-7-13/h2-5,13,17H,6-11H2,1H3,(H,18,21).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 61273474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).