1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide

C26H30ClN5O2 — CID 123323486

IUPAC1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide
SMILESCc1cc2c(cc1Cl)nc(C1(N3CCC(C(N)=O)CC3)CCCC1)n2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C26H30ClN5O2/c1-16-14-22-21(15-20(16)27)30-25(32(22)19-6-4-17(5-7-19)23(28)33)26(10-2-3-11-26)31-12-8-18(9-13-31)24(29)34/h4-7,14-15,18H,2-3,8-13H2,1H3,(H2,28,33)(H2,29,34)
InChIKeyKYYHRKXUVDPIPS-UHFFFAOYSA-N
MW480.01 g/mol
LogP4.05
Rot. Bonds5

About 1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide

1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide (PubChem CID 123323486) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide
PubChem CID123323486
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide
SMILESCc1cc2c(cc1Cl)nc(C1(N3CCC(C(N)=O)CC3)CCCC1)n2-c1ccc(C(N)=O)cc1
InChIInChI=1S/C26H30ClN5O2/c1-16-14-22-21(15-20(16)27)30-25(32(22)19-6-4-17(5-7-19)23(28)33)26(10-2-3-11-26)31-12-8-18(9-13-31)24(29)34/h4-7,14-15,18H,2-3,8-13H2,1H3,(H2,28,33)(H2,29,34)
InChIKeyKYYHRKXUVDPIPS-UHFFFAOYSA-N
XLogP4.05
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide (CID 123323486) is 1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide is Cc1cc2c(cc1Cl)nc(C1(N3CCC(C(N)=O)CC3)CCCC1)n2-c1ccc(C(N)=O)cc1.
What is the InChIKey of 1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide?
The InChIKey is KYYHRKXUVDPIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-16-14-22-21(15-20(16)27)30-25(32(22)19-6-4-17(5-7-19)23(28)33)26(10-2-3-11-26)31-12-8-18(9-13-31)24(29)34/h4-7,14-15,18H,2-3,8-13H2,1H3,(H2,28,33)(H2,29,34).
What are the key properties of 1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide?
1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide has a molecular weight of 480.01 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-carbamoylphenyl)-5-chloro-6-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide is sourced from PubChem (CID 123323486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).