2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide

C16H14N6 — CID 139915466

IUPAC2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide
SMILES[H]/N=C(\N)n1c(Cc2nc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C16H14N6/c17-16(18)22-13-8-4-3-7-12(13)21-15(22)9-14-19-10-5-1-2-6-11(10)20-14/h1-8H,9H2,(H3,17,18)(H,19,20)
InChIKeyNICUUURFPFAABI-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.24
Rot. Bonds2

About 2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide

2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide (PubChem CID 139915466) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide
PubChem CID139915466
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide
SMILES[H]/N=C(\N)n1c(Cc2nc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C16H14N6/c17-16(18)22-13-8-4-3-7-12(13)21-15(22)9-14-19-10-5-1-2-6-11(10)20-14/h1-8H,9H2,(H3,17,18)(H,19,20)
InChIKeyNICUUURFPFAABI-UHFFFAOYSA-N
XLogP2.24
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-ylmethyl)-3H-benzimidazole-5-carboximidamide;dihydrochloride
CID 153286784
2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carboximidamide
CID 143149128
2-[[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carboximidamide
CID 70081461
2-[[1-[2-(ethylsulfonylamino)ethyl]benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carboximidamide
CID 70114449
2-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylethanimine
CID 63641014
CID 58296357
CID 58296357
2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175073604
3-(2-aminoethyl)-2-(1H-benzimidazol-2-ylmethyl)benzimidazole-5-carbonitrile
CID 54494001
N-[2-[2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)methyl]benzimidazol-1-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 54542655
N-[2-[2-[(6-carbamimidoyl-1H-benzimidazol-2-yl)methyl]benzimidazol-1-yl]ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 54088876
1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole
CID 50878272
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide (CID 139915466) is 2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide is [H]/N=C(\N)n1c(Cc2nc3ccccc3[nH]2)nc2ccccc21.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide?
The InChIKey is NICUUURFPFAABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-16(18)22-13-8-4-3-7-12(13)21-15(22)9-14-19-10-5-1-2-6-11(10)20-14/h1-8H,9H2,(H3,17,18)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide?
2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide has a molecular weight of 290.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethyl)benzimidazole-1-carboximidamide is sourced from PubChem (CID 139915466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).