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

C19H21N3O2 — CID 17006058

IUPACN-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C19H21N3O2/c1-3-19(23)20-12-18-21-16-6-4-5-7-17(16)22(18)13-14-8-10-15(24-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyDEHKNEWASOWVMH-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.12
Rot. Bonds6

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

N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide (PubChem CID 17006058) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
PubChem CID17006058
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2ccccc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C19H21N3O2/c1-3-19(23)20-12-18-21-16-6-4-5-7-17(16)22(18)13-14-8-10-15(24-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyDEHKNEWASOWVMH-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028946
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17028897
4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008719
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 993353
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide (CID 17006058) is N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide is CCC(=O)NCc1nc2ccccc2n1Cc1ccc(OC)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide?
The InChIKey is DEHKNEWASOWVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-19(23)20-12-18-21-16-6-4-5-7-17(16)22(18)13-14-8-10-15(24-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide?
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide has a molecular weight of 323.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 17006058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).