1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide

C23H28N4O3 — CID 70781008

IUPAC1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)no1
InChIInChI=1S/C23H28N4O3/c1-15-11-18(25-30-15)13-24-22(28)17-9-10-20-21(12-17)26(14-16-7-8-16)23(29)27(20)19-5-3-2-4-6-19/h9-12,16,19H,2-8,13-14H2,1H3,(H,24,28)
InChIKeyIYPFPCARNDGWDO-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.94
Rot. Bonds6

About 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide

1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide (PubChem CID 70781008) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide
PubChem CID70781008
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)no1
InChIInChI=1S/C23H28N4O3/c1-15-11-18(25-30-15)13-24-22(28)17-9-10-20-21(12-17)26(14-16-7-8-16)23(29)27(20)19-5-3-2-4-6-19/h9-12,16,19H,2-8,13-14H2,1H3,(H,24,28)
InChIKeyIYPFPCARNDGWDO-UHFFFAOYSA-N
XLogP3.94
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide with MolForge

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Related Compounds

1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxobenzimidazole-5-carboxamide
CID 70708176
1-cyclohexyl-3-(cyclopropylmethyl)-N-(2-hydroxyethyl)-2-oxobenzimidazole-5-carboxamide
CID 70773055
1-cyclohexyl-N-cyclopropyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
CID 70761921
N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-2-oxobenzimidazole-5-carboxamide
CID 70783918
N-(3-amino-3-oxopropyl)-1-cyclohexyl-3-(cyclopropylmethyl)-N-methyl-2-oxobenzimidazole-5-carboxamide
CID 70711167
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
3-chloro-4-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47404576
6-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxamide
CID 66464919
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 47728452
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide (CID 70781008) is 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide is Cc1cc(CNC(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)no1.
What is the InChIKey of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide?
The InChIKey is IYPFPCARNDGWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-11-18(25-30-15)13-24-22(28)17-9-10-20-21(12-17)26(14-16-7-8-16)23(29)27(20)19-5-3-2-4-6-19/h9-12,16,19H,2-8,13-14H2,1H3,(H,24,28).
What are the key properties of 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide?
1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(cyclopropylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 70781008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).