1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea

C19H23N5O — CID 119052040

IUPAC1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea
SMILESCCC(NC(=O)NCc1nc2cc(C)ccc2n1C)c1ccncc1
InChIInChI=1S/C19H23N5O/c1-4-15(14-7-9-20-10-8-14)23-19(25)21-12-18-22-16-11-13(2)5-6-17(16)24(18)3/h5-11,15H,4,12H2,1-3H3,(H2,21,23,25)
InChIKeyNCSOZLXLGKCBRT-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.23
Rot. Bonds5

About 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea

1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea (PubChem CID 119052040) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea
PubChem CID119052040
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea
SMILESCCC(NC(=O)NCc1nc2cc(C)ccc2n1C)c1ccncc1
InChIInChI=1S/C19H23N5O/c1-4-15(14-7-9-20-10-8-14)23-19(25)21-12-18-22-16-11-13(2)5-6-17(16)24(18)3/h5-11,15H,4,12H2,1-3H3,(H2,21,23,25)
InChIKeyNCSOZLXLGKCBRT-UHFFFAOYSA-N
XLogP3.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 119052037
1-(1,5-dimethylbenzimidazol-2-yl)-N-methylmethanamine
CID 60785141
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 124731247
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 96518675
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192
N-[(1,5-dimethylbenzimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 133480328
1-[(6-methoxy-3-pyridinyl)methyl]-3-(1-pyridin-4-ylpropyl)urea
CID 71990716
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea
CID 42891466
4-[(1,5-dimethylbenzimidazol-2-yl)methylamino]phenol
CID 60833755
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 60783556
N-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]-2,3-dihydroxy-3-methylbutanamide
CID 154843835

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea?
The IUPAC name of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea (CID 119052040) is 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea.
What is the SMILES notation for 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea?
The canonical SMILES for 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea is CCC(NC(=O)NCc1nc2cc(C)ccc2n1C)c1ccncc1.
What is the InChIKey of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea?
The InChIKey is NCSOZLXLGKCBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-15(14-7-9-20-10-8-14)23-19(25)21-12-18-22-16-11-13(2)5-6-17(16)24(18)3/h5-11,15H,4,12H2,1-3H3,(H2,21,23,25).
What are the key properties of 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea?
1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea has a molecular weight of 337.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylbenzimidazol-2-yl)methyl]-3-(1-pyridin-4-ylpropyl)urea is sourced from PubChem (CID 119052040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).