1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea

C19H28N4O2 — CID 110936673

IUPAC1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCCn1c(CCNC(=O)NCC2(O)CCCCC2)nc2ccccc21
InChIInChI=1S/C19H28N4O2/c1-2-23-16-9-5-4-8-15(16)22-17(23)10-13-20-18(24)21-14-19(25)11-6-3-7-12-19/h4-5,8-9,25H,2-3,6-7,10-14H2,1H3,(H2,20,21,24)
InChIKeySIPMVYYGSFNCRZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.59
Rot. Bonds6

About 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea

1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 110936673) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID110936673
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESCCn1c(CCNC(=O)NCC2(O)CCCCC2)nc2ccccc21
InChIInChI=1S/C19H28N4O2/c1-2-23-16-9-5-4-8-15(16)22-17(23)10-13-20-18(24)21-14-19(25)11-6-3-7-12-19/h4-5,8-9,25H,2-3,6-7,10-14H2,1H3,(H2,20,21,24)
InChIKeySIPMVYYGSFNCRZ-UHFFFAOYSA-N
XLogP2.59
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea with MolForge

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide;formic acid
CID 154912354
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980199
(2R)-2-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]propanamide
CID 119866308
(2S)-2-ethyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 99831186
(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95235828
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866331
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122556376
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methanesulfonamido)propanamide
CID 118761675
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[1-(oxolan-2-yl)propyl]urea
CID 75390001
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 97244222

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea (CID 110936673) is 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea is CCn1c(CCNC(=O)NCC2(O)CCCCC2)nc2ccccc21.
What is the InChIKey of 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is SIPMVYYGSFNCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-23-16-9-5-4-8-15(16)22-17(23)10-13-20-18(24)21-14-19(25)11-6-3-7-12-19/h4-5,8-9,25H,2-3,6-7,10-14H2,1H3,(H2,20,21,24).
What are the key properties of 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 344.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 110936673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).