(2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide

C16H20N4O2 — CID 137036632

IUPAC(2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(NC1CCCC1)[C@@H]1C[C@H](O)Nc2nc3ccccc3n21
InChIInChI=1S/C16H20N4O2/c21-14-9-13(15(22)17-10-5-1-2-6-10)20-12-8-4-3-7-11(12)18-16(20)19-14/h3-4,7-8,10,13-14,21H,1-2,5-6,9H2,(H,17,22)(H,18,19)/t13-,14-/m0/s1
InChIKeyASOIQYLHPFSVKN-KBPBESRZSA-N
MW300.36 g/mol
LogP1.77
Rot. Bonds2

About (2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide

(2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide (PubChem CID 137036632) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide
PubChem CID137036632
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide
SMILESO=C(NC1CCCC1)[C@@H]1C[C@H](O)Nc2nc3ccccc3n21
InChIInChI=1S/C16H20N4O2/c21-14-9-13(15(22)17-10-5-1-2-6-10)20-12-8-4-3-7-11(12)18-16(20)19-14/h3-4,7-8,10,13-14,21H,1-2,5-6,9H2,(H,17,22)(H,18,19)/t13-,14-/m0/s1
InChIKeyASOIQYLHPFSVKN-KBPBESRZSA-N
XLogP1.77
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-oxo-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazole-4-carboxamide
CID 135636125
(2R,4S)-N-butyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide
CID 137105926
N-cyclopropyl-2-[(1R)-2-oxo-1,3-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 136677556
N-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781489
N-cyclopentyl-2-(2-cyclopentylbenzimidazol-1-yl)-2-cyclopropylacetamide
CID 53383208
2-[2-(cyclohexylamino)benzimidazol-1-yl]acetic acid
CID 43831374
N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157478
N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 46106770
N-cyclooctyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326113
N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide
CID 67030843
1-cyclobutyl-2-[(1-cyclopropylbenzimidazol-2-yl)methyl]guanidine
CID 122095318
N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide (CID 137036632) is (2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide is O=C(NC1CCCC1)[C@@H]1C[C@H](O)Nc2nc3ccccc3n21.
What is the InChIKey of (2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is ASOIQYLHPFSVKN-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-14-9-13(15(22)17-10-5-1-2-6-10)20-12-8-4-3-7-11(12)18-16(20)19-14/h3-4,7-8,10,13-14,21H,1-2,5-6,9H2,(H,17,22)(H,18,19)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide?
(2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopentyl-2-hydroxy-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 137036632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).