N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine

C13H15N5 — CID 79026925

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H15N5/c1-18-9-15-7-10(18)6-14-8-13-16-11-4-2-3-5-12(11)17-13/h2-5,7,9,14H,6,8H2,1H3,(H,16,17)
InChIKeyANEUJCUFTWKDNN-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.59
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine

N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine (PubChem CID 79026925) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine
PubChem CID79026925
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H15N5/c1-18-9-15-7-10(18)6-14-8-13-16-11-4-2-3-5-12(11)17-13/h2-5,7,9,14H,6,8H2,1H3,(H,16,17)
InChIKeyANEUJCUFTWKDNN-UHFFFAOYSA-N
XLogP1.59
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine
CID 78913462
N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine
CID 79036370
N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine
CID 66526943
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
CID 78911270
2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 68602182
N-(1H-benzimidazol-2-ylmethyl)-1-(2,5-dimethylthiophen-3-yl)methanamine
CID 78991548
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
N-[(3-methylimidazol-4-yl)methyl]-2-phenylethanamine
CID 53397214
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine (CID 79026925) is N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine is Cn1cncc1CNCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine?
The InChIKey is ANEUJCUFTWKDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-18-9-15-7-10(18)6-14-8-13-16-11-4-2-3-5-12(11)17-13/h2-5,7,9,14H,6,8H2,1H3,(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine has a molecular weight of 241.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 79026925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).