1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide

C20H28N4O3 — CID 74232760

IUPAC1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide
SMILESO=C(NC1(CN2CCOCC2)CCCC1)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C20H28N4O3/c25-10-7-24-15-21-17-13-16(3-4-18(17)24)19(26)22-20(5-1-2-6-20)14-23-8-11-27-12-9-23/h3-4,13,15,25H,1-2,5-12,14H2,(H,22,26)
InChIKeyMDRUYVGXVBGMTF-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.40
Rot. Bonds6

About 1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide

1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide (PubChem CID 74232760) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide
PubChem CID74232760
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide
SMILESO=C(NC1(CN2CCOCC2)CCCC1)c1ccc2c(c1)ncn2CCO
InChIInChI=1S/C20H28N4O3/c25-10-7-24-15-21-17-13-16(3-4-18(17)24)19(26)22-20(5-1-2-6-20)14-23-8-11-27-12-9-23/h3-4,13,15,25H,1-2,5-12,14H2,(H,22,26)
InChIKeyMDRUYVGXVBGMTF-UHFFFAOYSA-N
XLogP1.40
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-pyrimidin-2-ylbenzamide
CID 118785028
3-(3-hydroxy-2-pyridinyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzamide
CID 119073818
5-fluoro-1-methyl-N-[1-(morpholin-4-ylmethyl)cyclopentyl]indole-2-carboxamide
CID 77095932
1-(2-hydroxyethyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzimidazole-5-carboxamide
CID 118792168
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
1-(2-hydroxyethyl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]benzimidazole-5-carboxamide
CID 126448246
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
1-(2-hydroxyethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzimidazole-5-carboxamide
CID 74235390
1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473
N-[1-(morpholin-4-ylmethyl)cyclopentyl]-4-[(3S)-piperidin-3-yl]benzamide
CID 97204061
N-[(2-methylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53041061
1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 131946409

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide (CID 74232760) is 1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide is O=C(NC1(CN2CCOCC2)CCCC1)c1ccc2c(c1)ncn2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide?
The InChIKey is MDRUYVGXVBGMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-10-7-24-15-21-17-13-16(3-4-18(17)24)19(26)22-20(5-1-2-6-20)14-23-8-11-27-12-9-23/h3-4,13,15,25H,1-2,5-12,14H2,(H,22,26).
What are the key properties of 1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide?
1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[1-(morpholin-4-ylmethyl)cyclopentyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 74232760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).