N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine

C10H18N4 — CID 115019982

IUPACN'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine
SMILESNCCCNc1nc2c([nH]1)CCCC2
InChIInChI=1S/C10H18N4/c11-6-3-7-12-10-13-8-4-1-2-5-9(8)14-10/h1-7,11H2,(H2,12,13,14)
InChIKeyBECYPELZFLQLEC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.05
Rot. Bonds4

About N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine

N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine (PubChem CID 115019982) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine
PubChem CID115019982
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine
SMILESNCCCNc1nc2c([nH]1)CCCC2
InChIInChI=1S/C10H18N4/c11-6-3-7-12-10-13-8-4-1-2-5-9(8)14-10/h1-7,11H2,(H2,12,13,14)
InChIKeyBECYPELZFLQLEC-UHFFFAOYSA-N
XLogP1.05
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.05
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

4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride
CID 71779243
2-(pentylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779858
N'-(4,5,6,7-tetrabromo-1H-benzimidazol-2-yl)propane-1,3-diamine
CID 52934641
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine
CID 66201526
2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine
CID 102970045
2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779618
1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-amine
CID 39101052
N-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 15851824
4-amino-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butanoic acid
CID 83858426
2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine
CID 83858442
2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one
CID 136814266

Frequently Asked Questions

What is the IUPAC name of N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine (CID 115019982) is N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine is NCCCNc1nc2c([nH]1)CCCC2.
What is the InChIKey of N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine?
The InChIKey is BECYPELZFLQLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c11-6-3-7-12-10-13-8-4-1-2-5-9(8)14-10/h1-7,11H2,(H2,12,13,14).
What are the key properties of N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine?
N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115019982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).