3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide

C18H18N4O2 — CID 90505815

IUPAC3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C18H18N4O2/c1-24-14-6-4-5-13(9-14)19-18(23)22-10-12(11-22)17-20-15-7-2-3-8-16(15)21-17/h2-9,12H,10-11H2,1H3,(H,19,23)(H,20,21)
InChIKeyJMCUJZZFTYFGNS-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.20
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide

3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide (PubChem CID 90505815) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
PubChem CID90505815
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C18H18N4O2/c1-24-14-6-4-5-13(9-14)19-18(23)22-10-12(11-22)17-20-15-7-2-3-8-16(15)21-17/h2-9,12H,10-11H2,1H3,(H,19,23)(H,20,21)
InChIKeyJMCUJZZFTYFGNS-UHFFFAOYSA-N
XLogP3.20
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
CID 90505823
4-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carbothioamide
CID 1430350
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 43815842
3-(1H-benzimidazol-2-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 44754575
3-(1H-benzimidazol-2-yl)-N-(4-butoxyphenyl)azetidine-1-carboxamide
CID 90505848
(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 41172691
4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 3806388
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 3231348
3-(1H-benzimidazol-2-yl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 47041579
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide (CID 90505815) is 3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide is COc1cccc(NC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide?
The InChIKey is JMCUJZZFTYFGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-14-6-4-5-13(9-14)19-18(23)22-10-12(11-22)17-20-15-7-2-3-8-16(15)21-17/h2-9,12H,10-11H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide?
3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 90505815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).