(5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C17H18ClN5O — CID 124884339

IUPAC(5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCn1c(NC(=O)[C@@H]2CCc3[nH]ncc3C2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H18ClN5O/c1-2-23-15-6-4-12(18)8-14(15)20-17(23)21-16(24)10-3-5-13-11(7-10)9-19-22-13/h4,6,8-10H,2-3,5,7H2,1H3,(H,19,22)(H,20,21,24)/t10-/m1/s1
InChIKeyJBBLEYMHGRMCOE-SNVBAGLBSA-N
MW343.82 g/mol
LogP3.18
Rot. Bonds3

About (5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

(5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 124884339) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is (5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID124884339
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name(5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCCn1c(NC(=O)[C@@H]2CCc3[nH]ncc3C2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H18ClN5O/c1-2-23-15-6-4-12(18)8-14(15)20-17(23)21-16(24)10-3-5-13-11(7-10)9-19-22-13/h4,6,8-10H,2-3,5,7H2,1H3,(H,19,22)(H,20,21,24)/t10-/m1/s1
InChIKeyJBBLEYMHGRMCOE-SNVBAGLBSA-N
XLogP3.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of (5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 124884339) is (5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for (5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for (5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CCn1c(NC(=O)[C@@H]2CCc3[nH]ncc3C2)nc2cc(Cl)ccc21.
What is the InChIKey of (5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is JBBLEYMHGRMCOE-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-2-23-15-6-4-12(18)8-14(15)20-17(23)21-16(24)10-3-5-13-11(7-10)9-19-22-13/h4,6,8-10H,2-3,5,7H2,1H3,(H,19,22)(H,20,21,24)/t10-/m1/s1.
What are the key properties of (5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
(5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 343.82 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(5-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 124884339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).