1,3-bis(1H-benzimidazol-2-yl)propan-1-amine

C17H17N5 — CID 2772763

IUPAC1,3-bis(1H-benzimidazol-2-yl)propan-1-amine
SMILESNC(CCc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N5/c18-11(17-21-14-7-3-4-8-15(14)22-17)9-10-16-19-12-5-1-2-6-13(12)20-16/h1-8,11H,9-10,18H2,(H,19,20)(H,21,22)
InChIKeyQTRWITHPFNVZEQ-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.07
Rot. Bonds4

About 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine

1,3-bis(1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 2772763) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1,3-bis(1H-benzimidazol-2-yl)propan-1-amine
PubChem CID2772763
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name1,3-bis(1H-benzimidazol-2-yl)propan-1-amine
SMILESNC(CCc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N5/c18-11(17-21-14-7-3-4-8-15(14)22-17)9-10-16-19-12-5-1-2-6-13(12)20-16/h1-8,11H,9-10,18H2,(H,19,20)(H,21,22)
InChIKeyQTRWITHPFNVZEQ-UHFFFAOYSA-N
XLogP3.07
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine (CID 2772763) is 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine is NC(CCc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is QTRWITHPFNVZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c18-11(17-21-14-7-3-4-8-15(14)22-17)9-10-16-19-12-5-1-2-6-13(12)20-16/h1-8,11H,9-10,18H2,(H,19,20)(H,21,22).
What are the key properties of 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine?
1,3-bis(1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 291.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 2772763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).