3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea

C18H26N4O2 — CID 110011834

IUPAC3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
SMILESCC(NC(=O)N(C)CC1CCCCC1O)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H26N4O2/c1-12(17-20-14-8-4-5-9-15(14)21-17)19-18(24)22(2)11-13-7-3-6-10-16(13)23/h4-5,8-9,12-13,16,23H,3,6-7,10-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyPIAOPAXLUGHFKX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.82
Rot. Bonds4

About 3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea

3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea (PubChem CID 110011834) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
PubChem CID110011834
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
SMILESCC(NC(=O)N(C)CC1CCCCC1O)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H26N4O2/c1-12(17-20-14-8-4-5-9-15(14)21-17)19-18(24)22(2)11-13-7-3-6-10-16(13)23/h4-5,8-9,12-13,16,23H,3,6-7,10-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyPIAOPAXLUGHFKX-UHFFFAOYSA-N
XLogP2.82
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1H-benzimidazol-2-yl)propyl]-1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 99578317
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
3-[1-(2,3-difluorophenyl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 86784726
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylsulfamoyl)phenyl]-1-methylurea
CID 119033051
(2R)-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanamide
CID 21082288

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The IUPAC name of 3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea (CID 110011834) is 3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The canonical SMILES for 3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea is CC(NC(=O)N(C)CC1CCCCC1O)c1nc2ccccc2[nH]1.
What is the InChIKey of 3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
The InChIKey is PIAOPAXLUGHFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(17-20-14-8-4-5-9-15(14)21-17)19-18(24)22(2)11-13-7-3-6-10-16(13)23/h4-5,8-9,12-13,16,23H,3,6-7,10-11H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea?
3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea has a molecular weight of 330.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea is sourced from PubChem (CID 110011834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).