(5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C19H21ClN4O2 — CID 100665169

IUPAC(5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CC2
InChIInChI=1S/C19H21ClN4O2/c1-11-21-16-7-2-12(8-17(16)22-11)19(26)23-14-9-18(25)24(10-14)15-5-3-13(20)4-6-15/h3-6,12,14H,2,7-10H2,1H3,(H,21,22)(H,23,26)/t12-,14+/m1/s1
InChIKeyTVMKVINHCUYGFQ-OCCSQVGLSA-N
MW372.86 g/mol
LogP2.40
Rot. Bonds3

About (5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 100665169) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is (5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID100665169
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name(5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CC2
InChIInChI=1S/C19H21ClN4O2/c1-11-21-16-7-2-12(8-17(16)22-11)19(26)23-14-9-18(25)24(10-14)15-5-3-13(20)4-6-15/h3-6,12,14H,2,7-10H2,1H3,(H,21,22)(H,23,26)/t12-,14+/m1/s1
InChIKeyTVMKVINHCUYGFQ-OCCSQVGLSA-N
XLogP2.40
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100665107
N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640414
methyl 2-(4-chlorophenyl)-2-[(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)amino]acetate
CID 90640656
N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
(5S)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662612
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
N-(4-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640425
1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970493
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 125159195
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 7255518

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 100665169) is (5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC(=O)N(c3ccc(Cl)cc3)C1)CC2.
What is the InChIKey of (5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is TVMKVINHCUYGFQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-11-21-16-7-2-12(8-17(16)22-11)19(26)23-14-9-18(25)24(10-14)15-5-3-13(20)4-6-15/h3-6,12,14H,2,7-10H2,1H3,(H,21,22)(H,23,26)/t12-,14+/m1/s1.
What are the key properties of (5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100665169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).