N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine

C15H24N4 — CID 82500695

IUPACN,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine
SMILESCc1nc2cc(C(CN)N(C)C)ccc2n1C(C)C
InChIInChI=1S/C15H24N4/c1-10(2)19-11(3)17-13-8-12(6-7-14(13)19)15(9-16)18(4)5/h6-8,10,15H,9,16H2,1-5H3
InChIKeyDSMQIHGJLGBTAT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.49
Rot. Bonds4

About N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine

N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine (PubChem CID 82500695) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine
PubChem CID82500695
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine
SMILESCc1nc2cc(C(CN)N(C)C)ccc2n1C(C)C
InChIInChI=1S/C15H24N4/c1-10(2)19-11(3)17-13-8-12(6-7-14(13)19)15(9-16)18(4)5/h6-8,10,15H,9,16H2,1-5H3
InChIKeyDSMQIHGJLGBTAT-UHFFFAOYSA-N
XLogP2.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-methyl-3-propan-2-ylbenzimidazol-5-yl)ethanol
CID 83895796
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butanal
CID 117362928
N,N-dimethyl-1-(2-propan-2-yl-1,3-benzothiazol-5-yl)ethane-1,2-diamine
CID 82501389
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
CID 117338878
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811
2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
CID 110786068
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone
CID 96679913
2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
CID 82333985

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine (CID 82500695) is N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine is Cc1nc2cc(C(CN)N(C)C)ccc2n1C(C)C.
What is the InChIKey of N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine?
The InChIKey is DSMQIHGJLGBTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-10(2)19-11(3)17-13-8-12(6-7-14(13)19)15(9-16)18(4)5/h6-8,10,15H,9,16H2,1-5H3.
What are the key properties of N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 82500695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).