1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea

C19H28N4O2 — CID 97244222

IUPAC1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
SMILESCC[C@H](NC(=O)NCCc1nc2ccccc2n1CC)[C@@H]1CCCO1
InChIInChI=1S/C19H28N4O2/c1-3-14(17-10-7-13-25-17)22-19(24)20-12-11-18-21-15-8-5-6-9-16(15)23(18)4-2/h5-6,8-9,14,17H,3-4,7,10-13H2,1-2H3,(H2,20,22,24)/t14-,17-/m0/s1
InChIKeyWMWVYHNYNYRHDN-YOEHRIQHSA-N
MW344.46 g/mol
LogP2.86
Rot. Bonds7

About 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea

1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea (PubChem CID 97244222) 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-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
PubChem CID97244222
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
SMILESCC[C@H](NC(=O)NCCc1nc2ccccc2n1CC)[C@@H]1CCCO1
InChIInChI=1S/C19H28N4O2/c1-3-14(17-10-7-13-25-17)22-19(24)20-12-11-18-21-15-8-5-6-9-16(15)23(18)4-2/h5-6,8-9,14,17H,3-4,7,10-13H2,1-2H3,(H2,20,22,24)/t14-,17-/m0/s1
InChIKeyWMWVYHNYNYRHDN-YOEHRIQHSA-N
XLogP2.86
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[1-(oxolan-2-yl)propyl]urea
CID 75390001
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936673
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
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975315
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 16975314
(3R)-1-acetyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95235828
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110909164
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428120
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119866323
methyl 2-[2-[2-(oxolane-2-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975447

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
The IUPAC name of 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea (CID 97244222) is 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea is CC[C@H](NC(=O)NCCc1nc2ccccc2n1CC)[C@@H]1CCCO1.
What is the InChIKey of 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
The InChIKey is WMWVYHNYNYRHDN-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-14(17-10-7-13-25-17)22-19(24)20-12-11-18-21-15-8-5-6-9-16(15)23(18)4-2/h5-6,8-9,14,17H,3-4,7,10-13H2,1-2H3,(H2,20,22,24)/t14-,17-/m0/s1.
What are the key properties of 1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea?
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea has a molecular weight of 344.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 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-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 97244222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).