N'-(1H-benzimidazol-2-yl)propane-1,3-diamine

C10H14N4 — CID 11593576

IUPACN'-(1H-benzimidazol-2-yl)propane-1,3-diamine
SMILESNCCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H14N4/c11-6-3-7-12-10-13-8-4-1-2-5-9(8)14-10/h1-2,4-5H,3,6-7,11H2,(H2,12,13,14)
InChIKeyPHNONJHYIWLWCZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.32
Rot. Bonds4

About N'-(1H-benzimidazol-2-yl)propane-1,3-diamine

N'-(1H-benzimidazol-2-yl)propane-1,3-diamine (PubChem CID 11593576) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-yl)propane-1,3-diamine
PubChem CID11593576
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN'-(1H-benzimidazol-2-yl)propane-1,3-diamine
SMILESNCCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H14N4/c11-6-3-7-12-10-13-8-4-1-2-5-9(8)14-10/h1-2,4-5H,3,6-7,11H2,(H2,12,13,14)
InChIKeyPHNONJHYIWLWCZ-UHFFFAOYSA-N
XLogP1.32
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-[4-(1,2,4-triazol-4-yl)butyl]-1H-benzimidazol-2-amine
CID 133410530
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
3-(1H-benzimidazol-2-ylamino)propylsulfanylurea
CID 20557848
N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384228
3-[3-(1H-benzimidazol-2-ylamino)propyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137273620
1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one
CID 157412307
N-(2-phenoxyethyl)-1H-benzimidazol-2-amine
CID 55023552

Frequently Asked Questions

What is the IUPAC name of N'-(1H-benzimidazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(1H-benzimidazol-2-yl)propane-1,3-diamine (CID 11593576) is N'-(1H-benzimidazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(1H-benzimidazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(1H-benzimidazol-2-yl)propane-1,3-diamine is NCCCNc1nc2ccccc2[nH]1.
What is the InChIKey of N'-(1H-benzimidazol-2-yl)propane-1,3-diamine?
The InChIKey is PHNONJHYIWLWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-6-3-7-12-10-13-8-4-1-2-5-9(8)14-10/h1-2,4-5H,3,6-7,11H2,(H2,12,13,14).
What are the key properties of N'-(1H-benzimidazol-2-yl)propane-1,3-diamine?
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine has a molecular weight of 190.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 11593576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).