1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine

C16H15N5 — CID 5259992

IUPAC1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine
SMILESc1ccc2[nH]c(CNCc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C16H15N5/c1-2-6-12-11(5-1)18-15(19-12)9-17-10-16-20-13-7-3-4-8-14(13)21-16/h1-8,17H,9-10H2,(H,18,19)(H,20,21)
InChIKeyHLODWGNONYOKOT-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.73
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine

1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine (PubChem CID 5259992) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine
PubChem CID5259992
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine
SMILESc1ccc2[nH]c(CNCc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C16H15N5/c1-2-6-12-11(5-1)18-15(19-12)9-17-10-16-20-13-7-3-4-8-14(13)21-16/h1-8,17H,9-10H2,(H,18,19)(H,20,21)
InChIKeyHLODWGNONYOKOT-UHFFFAOYSA-N
XLogP2.73
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine (CID 5259992) is 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine is c1ccc2[nH]c(CNCc3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine?
The InChIKey is HLODWGNONYOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-2-6-12-11(5-1)18-15(19-12)9-17-10-16-20-13-7-3-4-8-14(13)21-16/h1-8,17H,9-10H2,(H,18,19)(H,20,21).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine?
1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine has a molecular weight of 277.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 5259992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).