N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine

C15H18N4 — CID 115143934

IUPACN-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine
SMILESCC(C)(CNc1nc2ccccc2[nH]1)c1cc[nH]c1
InChIInChI=1S/C15H18N4/c1-15(2,11-7-8-16-9-11)10-17-14-18-12-5-3-4-6-13(12)19-14/h3-9,16H,10H2,1-2H3,(H2,17,18,19)
InChIKeyJPXZGTTZWUVWTP-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.28
Rot. Bonds4

About N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine

N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine (PubChem CID 115143934) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine
PubChem CID115143934
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine
SMILESCC(C)(CNc1nc2ccccc2[nH]1)c1cc[nH]c1
InChIInChI=1S/C15H18N4/c1-15(2,11-7-8-16-9-11)10-17-14-18-12-5-3-4-6-13(12)19-14/h3-9,16H,10H2,1-2H3,(H2,17,18,19)
InChIKeyJPXZGTTZWUVWTP-UHFFFAOYSA-N
XLogP3.28
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687
N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384228
N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
CID 104624011
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
CID 133410270
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine (CID 115143934) is N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine is CC(C)(CNc1nc2ccccc2[nH]1)c1cc[nH]c1.
What is the InChIKey of N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine?
The InChIKey is JPXZGTTZWUVWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-15(2,11-7-8-16-9-11)10-17-14-18-12-5-3-4-6-13(12)19-14/h3-9,16H,10H2,1-2H3,(H2,17,18,19).
What are the key properties of N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine?
N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine has a molecular weight of 254.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 115143934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).