1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea

C22H26N4O2 — CID 97438221

IUPAC1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea
SMILESO=C(NCCCC[C@@H]1CCCO1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H26N4O2/c27-22(23-14-4-3-6-18-7-5-15-28-18)24-17-12-10-16(11-13-17)21-25-19-8-1-2-9-20(19)26-21/h1-2,8-13,18H,3-7,14-15H2,(H,25,26)(H2,23,24,27)/t18-/m1/s1
InChIKeyMWHRDPBWCAHDAQ-GOSISDBHSA-N
MW378.48 g/mol
LogP4.70
Rot. Bonds7

About 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea

1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea (PubChem CID 97438221) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea
PubChem CID97438221
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea
SMILESO=C(NCCCC[C@@H]1CCCO1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H26N4O2/c27-22(23-14-4-3-6-18-7-5-15-28-18)24-17-12-10-16(11-13-17)21-25-19-8-1-2-9-20(19)26-21/h1-2,8-13,18H,3-7,14-15H2,(H,25,26)(H2,23,24,27)/t18-/m1/s1
InChIKeyMWHRDPBWCAHDAQ-GOSISDBHSA-N
XLogP4.70
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
1-(2-methylquinolin-5-yl)-3-[4-(oxolan-2-yl)butyl]urea
CID 72895591
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45236535
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
CID 42196348
4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 126452002
1-(4-fluorophenyl)-3-[3-(oxolan-2-ylmethoxy)propyl]urea
CID 18101613
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
4-(1H-benzimidazol-2-yl)-N-butylbenzamide
CID 100577263
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 40820911
4-(aminomethyl)-N-[4-(1H-benzimidazol-2-yl)phenyl]oxane-4-carboxamide
CID 120937714
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea (CID 97438221) is 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea is O=C(NCCCC[C@@H]1CCCO1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea?
The InChIKey is MWHRDPBWCAHDAQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-22(23-14-4-3-6-18-7-5-15-28-18)24-17-12-10-16(11-13-17)21-25-19-8-1-2-9-20(19)26-21/h1-2,8-13,18H,3-7,14-15H2,(H,25,26)(H2,23,24,27)/t18-/m1/s1.
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea?
1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea has a molecular weight of 378.48 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[4-[(2R)-oxolan-2-yl]butyl]urea is sourced from PubChem (CID 97438221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).