N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide

C21H22N4O3 — CID 42951709

IUPACN-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C21H22N4O3/c1-25(13-19-23-16-8-2-3-9-17(16)24-19)21(27)14-6-4-7-15(12-14)22-20(26)18-10-5-11-28-18/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,22,26)(H,23,24)
InChIKeyBJUJBRCNLCJYJQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.95
Rot. Bonds5

About N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 42951709) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID42951709
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C21H22N4O3/c1-25(13-19-23-16-8-2-3-9-17(16)24-19)21(27)14-6-4-7-15(12-14)22-20(26)18-10-5-11-28-18/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,22,26)(H,23,24)
InChIKeyBJUJBRCNLCJYJQ-UHFFFAOYSA-N
XLogP2.95
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 135925798
(2S)-N-[3-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 35745859
(2S)-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94020588
N-[3-[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 56758407
N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 42890216
N-[3-[(4-cyanophenyl)methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134004304
N-[3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 42949411
N-[3-[2-(methanesulfonamido)ethyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 75463883
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119661064
N-[3-[ethyl(phenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46548651
N-[3-[ethyl-(2-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42891560
N-[3-[1,3-benzothiazol-2-yl(2-methoxyethyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 55545886

Frequently Asked Questions

What is the IUPAC name of N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 42951709) is N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide is CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is BJUJBRCNLCJYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-25(13-19-23-16-8-2-3-9-17(16)24-19)21(27)14-6-4-7-15(12-14)22-20(26)18-10-5-11-28-18/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 42951709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).