N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide

C20H17N5O — CID 156704986

IUPACN-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide
SMILESCCCn1cc(C#N)c2cc(NC(=O)c3cccc4[nH]cnc34)ccc21
InChIInChI=1S/C20H17N5O/c1-2-8-25-11-13(10-21)16-9-14(6-7-18(16)25)24-20(26)15-4-3-5-17-19(15)23-12-22-17/h3-7,9,11-12H,2,8H2,1H3,(H,22,23)(H,24,26)
InChIKeyWKMBBRRGUYYURR-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.05
Rot. Bonds4

About N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide

N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 156704986) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide
PubChem CID156704986
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide
SMILESCCCn1cc(C#N)c2cc(NC(=O)c3cccc4[nH]cnc34)ccc21
InChIInChI=1S/C20H17N5O/c1-2-8-25-11-13(10-21)16-9-14(6-7-18(16)25)24-20(26)15-4-3-5-17-19(15)23-12-22-17/h3-7,9,11-12H,2,8H2,1H3,(H,22,23)(H,24,26)
InChIKeyWKMBBRRGUYYURR-UHFFFAOYSA-N
XLogP4.05
TPSA86.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide (CID 156704986) is N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide is CCCn1cc(C#N)c2cc(NC(=O)c3cccc4[nH]cnc34)ccc21.
What is the InChIKey of N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is WKMBBRRGUYYURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-2-8-25-11-13(10-21)16-9-14(6-7-18(16)25)24-20(26)15-4-3-5-17-19(15)23-12-22-17/h3-7,9,11-12H,2,8H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide?
N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-propylindol-5-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 156704986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).