N-tert-butyl-1H-benzimidazol-2-amine

C11H15N3 — CID 54040021

IUPACN-tert-butyl-1H-benzimidazol-2-amine
SMILESCC(C)(C)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3/c1-11(2,3)14-10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H2,12,13,14)
InChIKeyLLQVJWQAMMSPCY-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.77
Rot. Bonds1

About N-tert-butyl-1H-benzimidazol-2-amine

N-tert-butyl-1H-benzimidazol-2-amine (PubChem CID 54040021) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-tert-butyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-1H-benzimidazol-2-amine
PubChem CID54040021
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-tert-butyl-1H-benzimidazol-2-amine
SMILESCC(C)(C)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3/c1-11(2,3)14-10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H2,12,13,14)
InChIKeyLLQVJWQAMMSPCY-UHFFFAOYSA-N
XLogP2.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-6-chloro-1H-benzimidazol-2-amine
CID 119086306
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
CID 133410270
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1H-benzimidazol-2-amine?
The IUPAC name of N-tert-butyl-1H-benzimidazol-2-amine (CID 54040021) is N-tert-butyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-tert-butyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-tert-butyl-1H-benzimidazol-2-amine is CC(C)(C)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-tert-butyl-1H-benzimidazol-2-amine?
The InChIKey is LLQVJWQAMMSPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-11(2,3)14-10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H2,12,13,14).
What are the key properties of N-tert-butyl-1H-benzimidazol-2-amine?
N-tert-butyl-1H-benzimidazol-2-amine has a molecular weight of 189.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 54040021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).