1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea

C20H25N5O — CID 125438567

IUPAC1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea
SMILESCC(C)[C@@H](NC(=O)N(C)Cc1nc2ccccc2n1C)c1cccnc1
InChIInChI=1S/C20H25N5O/c1-14(2)19(15-8-7-11-21-12-15)23-20(26)24(3)13-18-22-16-9-5-6-10-17(16)25(18)4/h5-12,14,19H,13H2,1-4H3,(H,23,26)/t19-/m1/s1
InChIKeyQFANOEKUKUAIOZ-LJQANCHMSA-N
MW351.45 g/mol
LogP3.51
Rot. Bonds5

About 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea

1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea (PubChem CID 125438567) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea
PubChem CID125438567
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea
SMILESCC(C)[C@@H](NC(=O)N(C)Cc1nc2ccccc2n1C)c1cccnc1
InChIInChI=1S/C20H25N5O/c1-14(2)19(15-8-7-11-21-12-15)23-20(26)24(3)13-18-22-16-9-5-6-10-17(16)25(18)4/h5-12,14,19H,13H2,1-4H3,(H,23,26)/t19-/m1/s1
InChIKeyQFANOEKUKUAIOZ-LJQANCHMSA-N
XLogP3.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea with MolForge

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Related Compounds

3-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 126453180
1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 126452559
2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 56739020
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 71864058
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
CID 56787204
1-[(1-methylimidazol-2-yl)methyl]-3-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-1-propylurea
CID 125441423
1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 134056803
4-[(1-methylbenzimidazol-2-yl)methylamino]-N-(1-pyridin-3-ylpropyl)benzamide
CID 131938275
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
2-[methyl(pyridin-2-ylmethyl)amino]-N-(2-methyl-1-pyridin-3-ylpropyl)acetamide
CID 118782710
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
CID 81009059

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea?
The IUPAC name of 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea (CID 125438567) is 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea.
What is the SMILES notation for 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea?
The canonical SMILES for 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea is CC(C)[C@@H](NC(=O)N(C)Cc1nc2ccccc2n1C)c1cccnc1.
What is the InChIKey of 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea?
The InChIKey is QFANOEKUKUAIOZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14(2)19(15-8-7-11-21-12-15)23-20(26)24(3)13-18-22-16-9-5-6-10-17(16)25(18)4/h5-12,14,19H,13H2,1-4H3,(H,23,26)/t19-/m1/s1.
What are the key properties of 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea?
1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea has a molecular weight of 351.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1R)-2-methyl-1-pyridin-3-ylpropyl]urea is sourced from PubChem (CID 125438567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).