2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine

C15H22N4 — CID 79540408

IUPAC2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC(C)CC3CCCN3)cc2[nH]1
InChIInChI=1S/C15H22N4/c1-10(8-12-4-3-7-16-12)17-13-5-6-14-15(9-13)19-11(2)18-14/h5-6,9-10,12,16-17H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyYWTOLFIHDAIRDN-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.81
Rot. Bonds4

About 2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine

2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine (PubChem CID 79540408) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine
PubChem CID79540408
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NC(C)CC3CCCN3)cc2[nH]1
InChIInChI=1S/C15H22N4/c1-10(8-12-4-3-7-16-12)17-13-5-6-14-15(9-13)19-11(2)18-14/h5-6,9-10,12,16-17H,3-4,7-8H2,1-2H3,(H,18,19)
InChIKeyYWTOLFIHDAIRDN-UHFFFAOYSA-N
XLogP2.81
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788363
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine
CID 104584102
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
4-bromo-3-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540717
3-methylsulfanyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541794
2-chloro-5-(1-pyrrolidin-2-ylpropan-2-ylamino)benzonitrile
CID 79541140
3-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540116
2-methyl-N-(1-methylsulfonylpropan-2-yl)-3H-benzimidazol-5-amine
CID 64630141
N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 79540658
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine (CID 79540408) is 2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine is Cc1nc2ccc(NC(C)CC3CCCN3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine?
The InChIKey is YWTOLFIHDAIRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10(8-12-4-3-7-16-12)17-13-5-6-14-15(9-13)19-11(2)18-14/h5-6,9-10,12,16-17H,3-4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine?
2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine has a molecular weight of 258.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 79540408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).