N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C23H29N3O4 — CID 55344683

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc(OC)c1OC
InChIInChI=1S/C23H29N3O4/c1-14(2)21(23-24-16-8-6-7-9-17(16)25-23)26-20(27)11-10-15-12-18(28-3)22(30-5)19(13-15)29-4/h6-9,12-14,21H,10-11H2,1-5H3,(H,24,25)(H,26,27)
InChIKeyFRQHZFNXWQRRKS-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.03
Rot. Bonds9

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 55344683) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID55344683
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc(OC)c1OC
InChIInChI=1S/C23H29N3O4/c1-14(2)21(23-24-16-8-6-7-9-17(16)25-23)26-20(27)11-10-15-12-18(28-3)22(30-5)19(13-15)29-4/h6-9,12-14,21H,10-11H2,1-5H3,(H,24,25)(H,26,27)
InChIKeyFRQHZFNXWQRRKS-UHFFFAOYSA-N
XLogP4.03
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55936739
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60592565
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(2-methoxyphenyl)acetamide
CID 8928025
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 60543061
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 42924068
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 51205905

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 55344683) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NC(c2nc3ccccc3[nH]2)C(C)C)cc(OC)c1OC.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is FRQHZFNXWQRRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-14(2)21(23-24-16-8-6-7-9-17(16)25-23)26-20(27)11-10-15-12-18(28-3)22(30-5)19(13-15)29-4/h6-9,12-14,21H,10-11H2,1-5H3,(H,24,25)(H,26,27).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 411.50 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55344683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).