N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide

C24H25N3O2 — CID 144712535

IUPACN-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCOC1=C(CNC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)C(C)CC=C1
InChIInChI=1S/C24H25N3O2/c1-16-6-4-8-19(12-16)27-15-26-21-13-18(10-11-22(21)27)24(28)25-14-20-17(2)7-5-9-23(20)29-3/h4-6,8-13,15,17H,7,14H2,1-3H3,(H,25,28)
InChIKeyZQTXNHUPGSGKMO-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.56
Rot. Bonds5

About N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide

N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide (PubChem CID 144712535) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
PubChem CID144712535
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCOC1=C(CNC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)C(C)CC=C1
InChIInChI=1S/C24H25N3O2/c1-16-6-4-8-19(12-16)27-15-26-21-13-18(10-11-22(21)27)24(28)25-14-20-17(2)7-5-9-23(20)29-3/h4-6,8-13,15,17H,7,14H2,1-3H3,(H,25,28)
InChIKeyZQTXNHUPGSGKMO-UHFFFAOYSA-N
XLogP4.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
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CID 86268678
1-(3-methylphenyl)-N-octylbenzimidazole-5-carboxamide
CID 3614186
1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzimidazole-5-carboxamide
CID 154851573
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 136553580
3-(2-methoxyphenyl)-1-[1-(3-methylphenyl)benzimidazol-5-yl]propan-1-one
CID 158587879
1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3662061
[3-[(dimethylamino)methyl]azetidin-1-yl]-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553899
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide (CID 144712535) is N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide is COC1=C(CNC(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)C(C)CC=C1.
What is the InChIKey of N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The InChIKey is ZQTXNHUPGSGKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16-6-4-8-19(12-16)27-15-26-21-13-18(10-11-22(21)27)24(28)25-14-20-17(2)7-5-9-23(20)29-3/h4-6,8-13,15,17H,7,14H2,1-3H3,(H,25,28).
What are the key properties of N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide?
N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 144712535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).