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

C18H21ClN6O — CID 167853564

IUPAC1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea
SMILESCCNc1cc(CNC(=O)NCc2nc3cc(Cl)ccc3n2C)ccn1
InChIInChI=1S/C18H21ClN6O/c1-3-20-16-8-12(6-7-21-16)10-22-18(26)23-11-17-24-14-9-13(19)4-5-15(14)25(17)2/h4-9H,3,10-11H2,1-2H3,(H,20,21)(H2,22,23,26)
InChIKeyZFZCOQNODUSVQK-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.05
Rot. Bonds6

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

1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea (PubChem CID 167853564) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea
PubChem CID167853564
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea
SMILESCCNc1cc(CNC(=O)NCc2nc3cc(Cl)ccc3n2C)ccn1
InChIInChI=1S/C18H21ClN6O/c1-3-20-16-8-12(6-7-21-16)10-22-18(26)23-11-17-24-14-9-13(19)4-5-15(14)25(17)2/h4-9H,3,10-11H2,1-2H3,(H,20,21)(H2,22,23,26)
InChIKeyZFZCOQNODUSVQK-UHFFFAOYSA-N
XLogP3.05
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea with MolForge

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Related Compounds

N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192
2-[[(5-chloro-1-methylbenzimidazol-2-yl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128861
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84640275
2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
CID 62327428
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]propanoic acid
CID 119912291
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 166408298
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
(2S)-N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-(dimethylamino)-3-methylbutanamide
CID 86779822
3-[benzyl(methyl)amino]-N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 166183225
1-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 70829343
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837982

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea (CID 167853564) is 1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea is CCNc1cc(CNC(=O)NCc2nc3cc(Cl)ccc3n2C)ccn1.
What is the InChIKey of 1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea?
The InChIKey is ZFZCOQNODUSVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-3-20-16-8-12(6-7-21-16)10-22-18(26)23-11-17-24-14-9-13(19)4-5-15(14)25(17)2/h4-9H,3,10-11H2,1-2H3,(H,20,21)(H2,22,23,26).
What are the key properties of 1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea?
1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea has a molecular weight of 372.86 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 167853564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).