1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride

C19H28ClN5O2 — CID 119448652

IUPAC1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C19H27N5O2.ClH/c25-18(21-9-12-23-10-7-20-8-11-23)14-5-6-17-16(13-14)22-19(26)24(17)15-3-1-2-4-15;/h5-6,13,15,20H,1-4,7-12H2,(H,21,25)(H,22,26);1H
InChIKeyFOOYCBLKXCPDFS-UHFFFAOYSA-N
MW393.92 g/mol
LogP1.50
Rot. Bonds5

About 1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride

1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride (PubChem CID 119448652) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
PubChem CID119448652
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
InChIInChI=1S/C19H27N5O2.ClH/c25-18(21-9-12-23-10-7-20-8-11-23)14-5-6-17-16(13-14)22-19(26)24(17)15-3-1-2-4-15;/h5-6,13,15,20H,1-4,7-12H2,(H,21,25)(H,22,26);1H
InChIKeyFOOYCBLKXCPDFS-UHFFFAOYSA-N
XLogP1.50
TPSA82.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-benzimidazole-5-carboxamide
CID 119394046
1-(4-hydroxycyclohexyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 70780487
1-(4-hydroxycyclohexyl)-N-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70771286
4-fluoro-N-[2-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 44573689
4-chloro-N-[2-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 53470220
1-cyclopentyl-2-oxo-N-piperidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119428553
3,4-dichloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 25105699
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
1-ethyl-2,3-dioxo-N-(2-piperazin-1-ylethyl)-4H-quinoxaline-6-carboxamide;hydrochloride
CID 119447949
1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 120887120
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride?
The IUPAC name of 1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride (CID 119448652) is 1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride?
The InChIKey is FOOYCBLKXCPDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c25-18(21-9-12-23-10-7-20-8-11-23)14-5-6-17-16(13-14)22-19(26)24(17)15-3-1-2-4-15;/h5-6,13,15,20H,1-4,7-12H2,(H,21,25)(H,22,26);1H.
What are the key properties of 1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride?
1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-benzimidazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119448652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).