N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide

C14H15ClN4O2 — CID 71935646

IUPACN-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCn1c(NC(=O)CNC(=O)C2CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H15ClN4O2/c1-19-11-5-4-9(15)6-10(11)17-14(19)18-12(20)7-16-13(21)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,16,21)(H,17,18,20)
InChIKeyBBRCJLSAECFYIS-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.69
Rot. Bonds4

About N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 71935646) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID71935646
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCn1c(NC(=O)CNC(=O)C2CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C14H15ClN4O2/c1-19-11-5-4-9(15)6-10(11)17-14(19)18-12(20)7-16-13(21)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,16,21)(H,17,18,20)
InChIKeyBBRCJLSAECFYIS-UHFFFAOYSA-N
XLogP1.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
CID 51099324
5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 52793296
N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide
CID 146128556
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51099093
N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 71882719
N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]acetamide
CID 146142178
(3S)-N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 52519571
N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide
CID 166260961
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
(2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide
CID 95047950

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide (CID 71935646) is N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide is Cn1c(NC(=O)CNC(=O)C2CC2)nc2cc(Cl)ccc21.
What is the InChIKey of N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is BBRCJLSAECFYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-19-11-5-4-9(15)6-10(11)17-14(19)18-12(20)7-16-13(21)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,16,21)(H,17,18,20).
What are the key properties of N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 306.75 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71935646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).