N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide

C20H22ClN3O2 — CID 53131328

IUPACN-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)cc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-12(2)20-23-16-7-4-13(10-17(16)24-20)5-9-19(25)22-14-6-8-18(26-3)15(21)11-14/h4,6-8,10-12H,5,9H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHCGVKOLSAHLMHU-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.92
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide (PubChem CID 53131328) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
PubChem CID53131328
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)cc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-12(2)20-23-16-7-4-13(10-17(16)24-20)5-9-19(25)22-14-6-8-18(26-3)15(21)11-14/h4,6-8,10-12H,5,9H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHCGVKOLSAHLMHU-UHFFFAOYSA-N
XLogP4.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
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N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
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CID 119252525
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
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N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
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3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide (CID 53131328) is N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide is COc1ccc(NC(=O)CCc2ccc3nc(C(C)C)[nH]c3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is HCGVKOLSAHLMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-12(2)20-23-16-7-4-13(10-17(16)24-20)5-9-19(25)22-14-6-8-18(26-3)15(21)11-14/h4,6-8,10-12H,5,9H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 371.87 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 53131328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).