N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine

C16H14N4 — CID 83326035

IUPACN-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCc3ccc4[nH]ccc4c3)nc2c1
InChIInChI=1S/C16H14N4/c1-2-4-15-14(3-1)19-16(20-15)18-10-11-5-6-13-12(9-11)7-8-17-13/h1-9,17H,10H2,(H2,18,19,20)
InChIKeyUVEMQAGVPKYUJK-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.66
Rot. Bonds3

About N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine

N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine (PubChem CID 83326035) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine
PubChem CID83326035
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC NameN-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine
SMILESc1ccc2[nH]c(NCc3ccc4[nH]ccc4c3)nc2c1
InChIInChI=1S/C16H14N4/c1-2-4-15-14(3-1)19-16(20-15)18-10-11-5-6-13-12(9-11)7-8-17-13/h1-9,17H,10H2,(H2,18,19,20)
InChIKeyUVEMQAGVPKYUJK-UHFFFAOYSA-N
XLogP3.66
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410298
4-[(1H-benzimidazol-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106382164
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
N-(1H-indol-5-ylmethyl)-1H-indazol-4-amine
CID 102910187
N-(1H-indol-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 17221788
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1H-benzimidazol-2-amine
CID 133409971
6-benzyl-2-N,5-bis(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 67470649
N-(1,2-thiazol-5-ylmethyl)-1H-benzimidazol-2-amine
CID 141189433

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine (CID 83326035) is N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine is c1ccc2[nH]c(NCc3ccc4[nH]ccc4c3)nc2c1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is UVEMQAGVPKYUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-4-15-14(3-1)19-16(20-15)18-10-11-5-6-13-12(9-11)7-8-17-13/h1-9,17H,10H2,(H2,18,19,20).
What are the key properties of N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine?
N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 262.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 83326035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).