1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine

C19H22N8 — CID 146422697

IUPAC1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine
SMILESCCCn1nnc(-c2ccc(C(N)(CN)c3ccc4nc[nH]c4c3)cc2)n1
InChIInChI=1S/C19H22N8/c1-2-9-27-25-18(24-26-27)13-3-5-14(6-4-13)19(21,11-20)15-7-8-16-17(10-15)23-12-22-16/h3-8,10,12H,2,9,11,20-21H2,1H3,(H,22,23)
InChIKeyWKXFHISDBRFOHY-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.79
Rot. Bonds6

About 1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine

1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine (PubChem CID 146422697) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine
PubChem CID146422697
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine
SMILESCCCn1nnc(-c2ccc(C(N)(CN)c3ccc4nc[nH]c4c3)cc2)n1
InChIInChI=1S/C19H22N8/c1-2-9-27-25-18(24-26-27)13-3-5-14(6-4-13)19(21,11-20)15-7-8-16-17(10-15)23-12-22-16/h3-8,10,12H,2,9,11,20-21H2,1H3,(H,22,23)
InChIKeyWKXFHISDBRFOHY-UHFFFAOYSA-N
XLogP1.79
TPSA124.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine (CID 146422697) is 1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine is CCCn1nnc(-c2ccc(C(N)(CN)c3ccc4nc[nH]c4c3)cc2)n1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine?
The InChIKey is WKXFHISDBRFOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-2-9-27-25-18(24-26-27)13-3-5-14(6-4-13)19(21,11-20)15-7-8-16-17(10-15)23-12-22-16/h3-8,10,12H,2,9,11,20-21H2,1H3,(H,22,23).
What are the key properties of 1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine?
1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine has a molecular weight of 362.44 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-1-[4-(2-propyltetrazol-5-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 146422697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).