N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide

C21H24N4O3 — CID 17028946

IUPACN-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1CC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C21H24N4O3/c1-3-20(26)23-13-19-24-17-6-4-5-7-18(17)25(19)14-21(27)22-12-15-8-10-16(28-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyDTBMNKHIHSSJMU-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.39
Rot. Bonds8

About N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide

N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide (PubChem CID 17028946) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
PubChem CID17028946
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1CC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C21H24N4O3/c1-3-20(26)23-13-19-24-17-6-4-5-7-18(17)25(19)14-21(27)22-12-15-8-10-16(28-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyDTBMNKHIHSSJMU-UHFFFAOYSA-N
XLogP2.39
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030107
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032573
N-[2-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 17030548
N-[1-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 17029814
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide?
The IUPAC name of N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide (CID 17028946) is N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide?
The canonical SMILES for N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide is CCC(=O)NCc1nc2ccccc2n1CC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide?
The InChIKey is DTBMNKHIHSSJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-20(26)23-13-19-24-17-6-4-5-7-18(17)25(19)14-21(27)22-12-15-8-10-16(28-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide?
N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide has a molecular weight of 380.45 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 17028946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).