4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

C22H23ClN4O2 — CID 17029542

IUPAC4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21)NC1CCCC1
InChIInChI=1S/C22H23ClN4O2/c23-16-11-9-15(10-12-16)22(29)24-13-20-26-18-7-3-4-8-19(18)27(20)14-21(28)25-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,29)(H,25,28)
InChIKeyOIADKFVQSKCREJ-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.68
Rot. Bonds6

About 4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17029542) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17029542
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21)NC1CCCC1
InChIInChI=1S/C22H23ClN4O2/c23-16-11-9-15(10-12-16)22(29)24-13-20-26-18-7-3-4-8-19(18)27(20)14-21(28)25-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,29)(H,25,28)
InChIKeyOIADKFVQSKCREJ-UHFFFAOYSA-N
XLogP3.68
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031635
N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029444
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
N-[[1-[2-(butan-2-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029539
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009109
4-chloro-N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029556
N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029564
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029056
propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17009130

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17029542) is 4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is O=C(Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21)NC1CCCC1.
What is the InChIKey of 4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is OIADKFVQSKCREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-16-11-9-15(10-12-16)22(29)24-13-20-26-18-7-3-4-8-19(18)27(20)14-21(28)25-17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13-14H2,(H,24,29)(H,25,28).
What are the key properties of 4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 410.91 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17029542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).