1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea

C18H21N5O — CID 166313203

IUPAC1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea
SMILESCCc1cnc(C)cc1NC(=O)NCc1ccc2c(c1)ncn2C
InChIInChI=1S/C18H21N5O/c1-4-14-10-19-12(2)7-15(14)22-18(24)20-9-13-5-6-17-16(8-13)21-11-23(17)3/h5-8,10-11H,4,9H2,1-3H3,(H2,19,20,22,24)
InChIKeyMXJKLINSIGJFHE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.16
Rot. Bonds4

About 1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea

1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea (PubChem CID 166313203) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea
PubChem CID166313203
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea
SMILESCCc1cnc(C)cc1NC(=O)NCc1ccc2c(c1)ncn2C
InChIInChI=1S/C18H21N5O/c1-4-14-10-19-12(2)7-15(14)22-18(24)20-9-13-5-6-17-16(8-13)21-11-23(17)3/h5-8,10-11H,4,9H2,1-3H3,(H2,19,20,22,24)
InChIKeyMXJKLINSIGJFHE-UHFFFAOYSA-N
XLogP3.16
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
1-imidazo[1,2-b]pyridazin-3-yl-3-[(1-methylbenzimidazol-5-yl)methyl]urea
CID 167748960
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
CID 115172225
2,4-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 53014028
1-[(1-methylbenzimidazol-5-yl)methyl]-3-spiro[2.5]octan-2-ylurea
CID 139018215
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
N-[2-(1-methylbenzimidazol-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110791656
(2S)-2-[(1-methylbenzimidazol-5-yl)methylamino]hexanoic acid
CID 120511687
2-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 53014032
N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038
methyl 4-[2-(1-methylbenzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110803452

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea?
The IUPAC name of 1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea (CID 166313203) is 1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea?
The canonical SMILES for 1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea is CCc1cnc(C)cc1NC(=O)NCc1ccc2c(c1)ncn2C.
What is the InChIKey of 1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea?
The InChIKey is MXJKLINSIGJFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-14-10-19-12(2)7-15(14)22-18(24)20-9-13-5-6-17-16(8-13)21-11-23(17)3/h5-8,10-11H,4,9H2,1-3H3,(H2,19,20,22,24).
What are the key properties of 1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea?
1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea has a molecular weight of 323.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methyl-4-pyridinyl)-3-[(1-methylbenzimidazol-5-yl)methyl]urea is sourced from PubChem (CID 166313203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).