(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide

C19H19N3O3 — CID 99811453

IUPAC(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
SMILESCOc1cccc(-n2c(NC(=O)[C@H]3CCOC3)nc3ccccc32)c1
InChIInChI=1S/C19H19N3O3/c1-24-15-6-4-5-14(11-15)22-17-8-3-2-7-16(17)20-19(22)21-18(23)13-9-10-25-12-13/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,23)/t13-/m0/s1
InChIKeyHBISQLQIZOBCJB-ZDUSSCGKSA-N
MW337.38 g/mol
LogP3.01
Rot. Bonds4

About (3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide

(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide (PubChem CID 99811453) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
PubChem CID99811453
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
SMILESCOc1cccc(-n2c(NC(=O)[C@H]3CCOC3)nc3ccccc32)c1
InChIInChI=1S/C19H19N3O3/c1-24-15-6-4-5-14(11-15)22-17-8-3-2-7-16(17)20-19(22)21-18(23)13-9-10-25-12-13/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,23)/t13-/m0/s1
InChIKeyHBISQLQIZOBCJB-ZDUSSCGKSA-N
XLogP3.01
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635454
2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide
CID 167760893
4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide
CID 120563260
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794651
N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119939723
1-(4-methoxypyrimidin-2-yl)-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 78892321
3-amino-N-(1-phenylbenzimidazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119732171
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride
CID 119800349
(3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide
CID 124516272
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
CID 118795023
3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161371
(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35738491

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide (CID 99811453) is (3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide is COc1cccc(-n2c(NC(=O)[C@H]3CCOC3)nc3ccccc32)c1.
What is the InChIKey of (3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide?
The InChIKey is HBISQLQIZOBCJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-15-6-4-5-14(11-15)22-17-8-3-2-7-16(17)20-19(22)21-18(23)13-9-10-25-12-13/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,23)/t13-/m0/s1.
What are the key properties of (3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide?
(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 99811453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).