N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide

C18H19N3O2 — CID 110444797

IUPACN-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C18H19N3O2/c1-18(2,13-5-7-14(23-3)8-6-13)21-17(22)12-4-9-15-16(10-12)20-11-19-15/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKeyDPRZYMLMRGMRSE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.24
Rot. Bonds4

About N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide

N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 110444797) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID110444797
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C18H19N3O2/c1-18(2,13-5-7-14(23-3)8-6-13)21-17(22)12-4-9-15-16(10-12)20-11-19-15/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKeyDPRZYMLMRGMRSE-UHFFFAOYSA-N
XLogP3.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
CID 82725393
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
N-[(2,5-dimethoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 939992
N-(1-amino-2-cyclopropylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 115307724
2-(3H-benzimidazole-5-carbonylamino)-2-ethylbutanoic acid
CID 79806287
4-acetamido-N-[2-(4-methoxyphenyl)propan-2-yl]benzamide
CID 110445289
N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
CID 110440877
N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
CID 79679920
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
N-[3-(2-methylbut-3-yn-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 166206630

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide (CID 110444797) is N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide is COc1ccc(C(C)(C)NC(=O)c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is DPRZYMLMRGMRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(2,13-5-7-14(23-3)8-6-13)21-17(22)12-4-9-15-16(10-12)20-11-19-15/h4-11H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide?
N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110444797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).