N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide

C17H13Cl2N5O2 — CID 86795032

IUPACN-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCn1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)nc2cccc(Cl)c21
InChIInChI=1S/C17H13Cl2N5O2/c1-23-15-12(19)3-2-4-13(15)21-17(23)22-16(25)14-6-5-11(26-14)9-24-8-10(18)7-20-24/h2-8H,9H2,1H3,(H,21,22,25)
InChIKeyYMYJVPWZMLONCR-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.97
Rot. Bonds4

About N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide

N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 86795032) has the molecular formula C17H13Cl2N5O2 and a molecular weight of 390.23 g/mol. Its IUPAC name is N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID86795032
Molecular FormulaC17H13Cl2N5O2
Molecular Weight390.23 g/mol
Exact Mass389.04
IUPAC NameN-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCn1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)nc2cccc(Cl)c21
InChIInChI=1S/C17H13Cl2N5O2/c1-23-15-12(19)3-2-4-13(15)21-17(23)22-16(25)14-6-5-11(26-14)9-24-8-10(18)7-20-24/h2-8H,9H2,1H3,(H,21,22,25)
InChIKeyYMYJVPWZMLONCR-UHFFFAOYSA-N
XLogP3.97
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide
CID 35523435
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 19578909
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 44820958
5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39891375
5-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)furan-2-carboxamide
CID 29096511
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19448372
N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415493
5-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 5151114
5-[(3-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]furan-2-carboxamide
CID 19446183
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 35334159
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 44825207
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide
CID 98510415

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide (CID 86795032) is N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide is Cn1c(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)nc2cccc(Cl)c21.
What is the InChIKey of N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is YMYJVPWZMLONCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O2/c1-23-15-12(19)3-2-4-13(15)21-17(23)22-16(25)14-6-5-11(26-14)9-24-8-10(18)7-20-24/h2-8H,9H2,1H3,(H,21,22,25).
What are the key properties of N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide?
N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 390.23 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1-methylbenzimidazol-2-yl)-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 86795032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).