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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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).