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

C14H16N4 — CID 78913462

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine
SMILESCn1cccc1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H16N4/c1-18-8-4-5-11(18)9-15-10-14-16-12-6-2-3-7-13(12)17-14/h2-8,15H,9-10H2,1H3,(H,16,17)
InChIKeyJLEZZVWFUSAISD-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.19
Rot. Bonds4

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

N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine (PubChem CID 78913462) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine
PubChem CID78913462
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine
SMILESCn1cccc1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H16N4/c1-18-8-4-5-11(18)9-15-10-14-16-12-6-2-3-7-13(12)17-14/h2-8,15H,9-10H2,1H3,(H,16,17)
InChIKeyJLEZZVWFUSAISD-UHFFFAOYSA-N
XLogP2.19
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine
CID 79036370
N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine
CID 79026925
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-(2,6-difluorophenyl)methanamine
CID 78911282
N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
CID 78911270
N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
CID 78911310
N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine
CID 66526943
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
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine (CID 78913462) is N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine is Cn1cccc1CNCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine?
The InChIKey is JLEZZVWFUSAISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18-8-4-5-11(18)9-15-10-14-16-12-6-2-3-7-13(12)17-14/h2-8,15H,9-10H2,1H3,(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine has a molecular weight of 240.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine is sourced from PubChem (CID 78913462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).