1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C19H22N4O4 — CID 70715167

IUPAC1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)on1
InChIInChI=1S/C19H22N4O4/c1-11-8-15(27-22-11)10-20-18(25)12-2-7-17-16(9-12)21-19(26)23(17)13-3-5-14(24)6-4-13/h2,7-9,13-14,24H,3-6,10H2,1H3,(H,20,25)(H,21,26)
InChIKeyXEQQKHLIEZNDMI-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.03
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70715167) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70715167
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)on1
InChIInChI=1S/C19H22N4O4/c1-11-8-15(27-22-11)10-20-18(25)12-2-7-17-16(9-12)21-19(26)23(17)13-3-5-14(24)6-4-13/h2,7-9,13-14,24H,3-6,10H2,1H3,(H,20,25)(H,21,26)
InChIKeyXEQQKHLIEZNDMI-UHFFFAOYSA-N
XLogP2.03
TPSA113.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 70715167) is 1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is Cc1cc(CNC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCC(O)CC2)on1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is XEQQKHLIEZNDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-11-8-15(27-22-11)10-20-18(25)12-2-7-17-16(9-12)21-19(26)23(17)13-3-5-14(24)6-4-13/h2,7-9,13-14,24H,3-6,10H2,1H3,(H,20,25)(H,21,26).
What are the key properties of 1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70715167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).