N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C14H13Cl2N3O — CID 90640075

IUPACN-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CCc2nc[nH]c2C1
InChIInChI=1S/C14H13Cl2N3O/c15-9-2-3-10(16)12(6-9)19-14(20)8-1-4-11-13(5-8)18-7-17-11/h2-3,6-8H,1,4-5H2,(H,17,18)(H,19,20)
InChIKeyQVYRMHOQIUNTMO-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.46
Rot. Bonds2

About N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640075) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640075
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC NameN-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1CCc2nc[nH]c2C1
InChIInChI=1S/C14H13Cl2N3O/c15-9-2-3-10(16)12(6-9)19-14(20)8-1-4-11-13(5-8)18-7-17-11/h2-3,6-8H,1,4-5H2,(H,17,18)(H,19,20)
InChIKeyQVYRMHOQIUNTMO-UHFFFAOYSA-N
XLogP3.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640012
(5S)-N-(2-methoxyphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 10683521
N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202979
N-(5-chloro-2-hydroxyphenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640483
N-[4-(diethylamino)-2-methylphenyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640111
N-cyclohexyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640002
N-(2-acetylphenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide;but-2-enedioic acid
CID 70055740
N-(4-hydroxycyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 121167007
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
(5R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661224
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639917

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640075) is N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)C1CCc2nc[nH]c2C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is QVYRMHOQIUNTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-9-2-3-10(16)12(6-9)19-14(20)8-1-4-11-13(5-8)18-7-17-11/h2-3,6-8H,1,4-5H2,(H,17,18)(H,19,20).
What are the key properties of N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).