3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea

C22H27N5O2 — CID 166255520

IUPAC3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea
SMILESCN(Cc1cccc(=O)[nH]1)C(=O)NC(c1nc2ccccc2[nH]1)C1CCCCC1
InChIInChI=1S/C22H27N5O2/c1-27(14-16-10-7-13-19(28)23-16)22(29)26-20(15-8-3-2-4-9-15)21-24-17-11-5-6-12-18(17)25-21/h5-7,10-13,15,20H,2-4,8-9,14H2,1H3,(H,23,28)(H,24,25)(H,26,29)
InChIKeyJNULEIFYQRAWLU-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.71
Rot. Bonds5

About 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea

3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea (PubChem CID 166255520) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea
PubChem CID166255520
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea
SMILESCN(Cc1cccc(=O)[nH]1)C(=O)NC(c1nc2ccccc2[nH]1)C1CCCCC1
InChIInChI=1S/C22H27N5O2/c1-27(14-16-10-7-13-19(28)23-16)22(29)26-20(15-8-3-2-4-9-15)21-24-17-11-5-6-12-18(17)25-21/h5-7,10-13,15,20H,2-4,8-9,14H2,1H3,(H,23,28)(H,24,25)(H,26,29)
InChIKeyJNULEIFYQRAWLU-UHFFFAOYSA-N
XLogP3.71
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea with MolForge

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Related Compounds

1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835
3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011834
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86841638
(2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 21082288
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1H-benzimidazol-2-ylmethyl)-N-methylacetamide
CID 92854492
N-[1-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
CID 53410318
1-(1H-benzimidazol-2-yl)ethyl cyclohexanecarboxylate
CID 3152016
[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
CID 1079144
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 51158145
2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole
CID 11426309

Frequently Asked Questions

What is the IUPAC name of 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea?
The IUPAC name of 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea (CID 166255520) is 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea.
What is the SMILES notation for 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea?
The canonical SMILES for 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea is CN(Cc1cccc(=O)[nH]1)C(=O)NC(c1nc2ccccc2[nH]1)C1CCCCC1.
What is the InChIKey of 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea?
The InChIKey is JNULEIFYQRAWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-27(14-16-10-7-13-19(28)23-16)22(29)26-20(15-8-3-2-4-9-15)21-24-17-11-5-6-12-18(17)25-21/h5-7,10-13,15,20H,2-4,8-9,14H2,1H3,(H,23,28)(H,24,25)(H,26,29).
What are the key properties of 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea?
3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea has a molecular weight of 393.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-benzimidazol-2-yl(cyclohexyl)methyl]-1-methyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]urea is sourced from PubChem (CID 166255520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).