1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide

C20H23N5O3 — CID 167928323

IUPAC1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(C2CCCOC2)[nH]n1)c1ccc2c(c1)[nH]c(=O)n2CC1CC1
InChIInChI=1S/C20H23N5O3/c26-19(22-18-9-15(23-24-18)14-2-1-7-28-11-14)13-5-6-17-16(8-13)21-20(27)25(17)10-12-3-4-12/h5-6,8-9,12,14H,1-4,7,10-11H2,(H,21,27)(H2,22,23,24,26)
InChIKeyXAUXWIQGWRRJLN-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.61
Rot. Bonds5

About 1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide

1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 167928323) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID167928323
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(C2CCCOC2)[nH]n1)c1ccc2c(c1)[nH]c(=O)n2CC1CC1
InChIInChI=1S/C20H23N5O3/c26-19(22-18-9-15(23-24-18)14-2-1-7-28-11-14)13-5-6-17-16(8-13)21-20(27)25(17)10-12-3-4-12/h5-6,8-9,12,14H,1-4,7,10-11H2,(H,21,27)(H2,22,23,24,26)
InChIKeyXAUXWIQGWRRJLN-UHFFFAOYSA-N
XLogP2.61
TPSA104.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 167905190
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N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 136538736
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 138017040
6-chloro-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117207372
5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide
CID 166268582
2-(3-ethylsulfonylphenyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 166220350
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-carboxamide
CID 136543616
1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 166630330
N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 154833521
N-[5-(3-chlorophenyl)-1H-pyrazol-3-yl]-1-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 167943659
5-hydroxy-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117208125

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 167928323) is 1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide is O=C(Nc1cc(C2CCCOC2)[nH]n1)c1ccc2c(c1)[nH]c(=O)n2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is XAUXWIQGWRRJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-19(22-18-9-15(23-24-18)14-2-1-7-28-11-14)13-5-6-17-16(8-13)21-20(27)25(17)10-12-3-4-12/h5-6,8-9,12,14H,1-4,7,10-11H2,(H,21,27)(H2,22,23,24,26).
What are the key properties of 1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 167928323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).